COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261956
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-hydroxyphenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Oc1ccc(cc1)CCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 424 mg

Lipinsky:
logP: 3.696
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 4

     

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